Slot: total_molecule_count¶
Total number of simulated molecules, defined as bonded atoms or beads.
URI: https://CCPBioSim.ac.uk/biosim-schema/total_molecule_count
Applicable Classes¶
Name |
Description |
Modifies Slot |
|---|---|---|
Entity counts across the simulated system |
no |
Properties¶
Type and Range¶
Property |
Value |
|---|---|
Range |
|
Domain Of |
Cardinality and Requirements¶
Property |
Value |
|---|
Value Constraints¶
Property |
Value |
|---|---|
Minimum Value |
0 |
Examples¶
Value |
|---|
1 |
Identifier and Mapping Information¶
Annotations¶
property |
value |
|---|---|
engine_mapping |
[{‘engine’: ‘toptrajparser’, ‘key’: ‘total_molecule_count’}] |
Schema Source¶
from schema: https://CCPBioSim.ac.uk/biosim-schema/
Mappings¶
Mapping Type |
Mapped Value |
|---|---|
self |
https://CCPBioSim.ac.uk/biosim-schema/total_molecule_count |
native |
https://CCPBioSim.ac.uk/biosim-schema/total_molecule_count |
LinkML Source¶
name: total_molecule_count
annotations:
engine_mapping:
tag: engine_mapping
value:
- engine: toptrajparser
key: total_molecule_count
description: Total number of simulated molecules, defined as bonded atoms or beads.
examples:
- value: '1'
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- SystemCounts
range: integer
minimum_value: 0